Hypotaurine

Base Information

• Chemical Name: Hypotaurine
• CAS No.: 300-84-5
• Molecular Formula: C2H7NO2S
• Molecular Weight: 109.149
• Hs Code.: 2930909090
• European Community (EC) Number: 428-720-4,627-467-9
• UNII: 5L08GE4332
• DSSTox Substance ID: DTXSID8075380,DTXSID60861856
• Nikkaji Number: J11.604A
• Wikipedia: Hypotaurine
• Wikidata: Q3138539
• Metabolomics Workbench ID: 37525
• ChEMBL ID: CHEMBL1256480
• Mol file: 300-84-5.mol

Synonyms:hypotaurine

Chemical Property of Hypotaurine

Chemical Property:

• Appearance/Colour: Endogenous inhibitory amino acid
• Vapor Pressure: 5.41E-06mmHg at 25°C
• Melting Point: 175-177 °C
• Boiling Point: 354.9 °C at 760 mmHg
• PKA: 2.54±0.10(Predicted)
• Flash Point: 168.5 °C
• PSA: 82.53000
• Density: 1.511 g/cm³
• LogP: 0.73280
• Storage Temp.: Desiccate at RT
• Solubility.: H2O: 100 mg/mL
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 109.01974964
• Heavy Atom Count: 6
• Complexity: 55.5

Purity/Quality:

99% ^*data from raw suppliers

Hypotaurine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CS(=O)O)N
• Uses: Hypotaurine is a metabolite of taurine and affects the regulation of the inflammatory aspects of the immune response. It is also converted into taurine in the body. Hypotaurine has been used as a supplement in fertilization medium (Fert- tyrode albumin lactate pyruvate (TALP)), which used in in-vitro fertilization and evaluation of embryo development. It is also used as a H2S scavenger.

Technology Process of Hypotaurine

There total 1 articles about Hypotaurine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

2,2'-dithio-bis[ethylamine] (51-85-4) + water (7732-18-5) → hypotaurine (300-84-5) + Tau (107-35-7)

Guidance literature:

γ-Strahle.Irradiation;

DOI:10.2307/3570165

Reference yield: 57.0%

hypotaurine (300-84-5) + N-(3-phenpropyl)-5,8-dioxo-5,8-dihydroquinoline-2-carboxamide → N-(3-phenylpropyl)-5,10-dioxo-3,4,5,10-tetrahydro-2H-[1,4]thiazino[2,3-g]quinoline-7-carboxamide 1,1-dioxide

Guidance literature:

With cerium(III) chloride heptahydrate; In ethanol; water; acetonitrile; at 0 - 20 ℃; for 51.5h;

DOI:10.3390/md11093472

Reference yield: 49.0%

hypotaurine (300-84-5) + N-phenethyl-5,8-dioxo-5,8-dihydroquinoline-2-carboxamide → N-phenethyl-5,10-dioxo-3,4,5,10-tetrahydro-2H-[1,4]thiazino[2,3-g]quinoline-7-carboxamide 1,1-dioxide

Guidance literature:

With cerium(III) chloride heptahydrate; In ethanol; water; acetonitrile; at 0 - 20 ℃; for 51.5h;

DOI:10.3390/md11093472

upstream raw materials:

2,2'-dithio-bis[ethylamine]

water

Downstream raw materials:

2-amino-ethanethiosulfonic acid

Tau

N-chlorotaurine

(E)-1-phenyl-3-(2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione-3,4-dihydro-1,1-dioxide)prop-2-en-1-one